2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid

C17H17NO4 — CID 14644560

IUPAC2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid
SMILESCOc1ccc(C(=O)N(C)C(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C17H17NO4/c1-18(15(17(20)21)12-6-4-3-5-7-12)16(19)13-8-10-14(22-2)11-9-13/h3-11,15H,1-2H3,(H,20,21)
InChIKeyUZYQJXAIMLLEDI-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.59
Rot. Bonds5

About 2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid

2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid (PubChem CID 14644560) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid
PubChem CID14644560
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid
SMILESCOc1ccc(C(=O)N(C)C(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C17H17NO4/c1-18(15(17(20)21)12-6-4-3-5-7-12)16(19)13-8-10-14(22-2)11-9-13/h3-11,15H,1-2H3,(H,20,21)
InChIKeyUZYQJXAIMLLEDI-UHFFFAOYSA-N
XLogP2.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorobenzoyl)-methylamino]-2-phenylacetic acid
CID 12039666
2-[(4-methoxybenzoyl)-methylamino]-2-(3-nitrophenyl)acetic acid
CID 50901821
(2S)-2-[(3,5-dimethylbenzoyl)-methylamino]-2-phenylacetic acid
CID 54255090
4-methoxy-N'-(4-methoxybenzoyl)-N,N'-dimethylbenzohydrazide
CID 14949074
4-methoxy-N-phenyl-N-[(1S)-1-phenylethyl]benzamide
CID 162689980
N-[cyano(phenyl)methyl]-N-[2-[[cyano(phenyl)methyl]-(4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 51351092
2-[(4-methoxyphenyl)methyl-methylamino]-2-phenylacetamide
CID 42895030
methyl 2-[bis[(4-methoxyphenyl)methyl]amino]-2-phenylacetate
CID 118272342
4-methoxy-N-methyl-N-oxidobenzamide
CID 15105733
methyl 2-[(2,4-dimethoxyphenyl)methyl-(4-methoxybenzoyl)amino]-2-phenylacetate
CID 58997996
2-(4-methoxyphenoxy)-2-phenylacetic acid
CID 13020555
2-[acetyl(benzyl)amino]-N-[2-(4-methoxyphenyl)ethyl]-2-phenylacetamide
CID 133237038

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid?
The IUPAC name of 2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid (CID 14644560) is 2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid?
The canonical SMILES for 2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid is COc1ccc(C(=O)N(C)C(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of 2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid?
The InChIKey is UZYQJXAIMLLEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-18(15(17(20)21)12-6-4-3-5-7-12)16(19)13-8-10-14(22-2)11-9-13/h3-11,15H,1-2H3,(H,20,21).
What are the key properties of 2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid?
2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid has a molecular weight of 299.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxybenzoyl)-methylamino]-2-phenylacetic acid is sourced from PubChem (CID 14644560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).